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Home > Aldehydes > 681260-23-1
681260-23-1 | 3-Propyl-1H-pyrazole-4-carbaldehyde
CAS No: 681260-23-1 Catalog No: AG005MO1 MDL No:MFCD03789033
Product Description
Catalog Number:
AG005MO1
Chemical Name:
3-Propyl-1H-pyrazole-4-carbaldehyde
CAS Number:
681260-23-1
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD03789033
IUPAC Name:
5-propyl-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C7H10N2O/c1-2-3-7-6(5-10)4-8-9-7/h4-5H,2-3H2,1H3,(H,8,9)
InChI Key:
NIWZBRGCLHKEHG-UHFFFAOYSA-N
SMILES:
CCCc1n[nH]cc1C=O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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